Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester (CAS 139297-36-2) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazol-5-yl]methyl 2,2-dimethylpropanoate
Also Known As: Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester, 5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-3-(hydroxymethyl)-, neopentanoate, {3-[(2,6-DIMETHYLPHENYL)CARBAMOYL]-1,2-OXAZOL-5-YL}METHYL 2,2-DIMETHYLPROPANOATE, [3-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazol-5-yl]methyl 2,2-dimethylpropanoate, 5-[(2,2-Dimethylpropionyloxy)methyl]-N-(2,6-dimethylphenyl)isoxazole-3-carboxamide
Technical Specifications
| Molecular Formula | C18H22N2O4 |
| Molecular Weight | 330.15796 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.15796 Da |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC(=O)C(C)(C)C |
| InChIKey | BKORYSMNTUFAAN-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester
The XLogP value of 3.4 indicates that Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester is 139297-36-2.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester is C18H22N2O4.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester is 330.15796 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.